Hypothetical Zeolite Structures

Posted on 09.03.2019 - 03:27 by Yi Li

The number of zeolite framework types grows rapidly in the past decades. In addition to their traditional applications in petrochemical industry, zeolites are now involved in various processes of sustainable chemistry, such as energy-saving catalytic processes, environmentally friendly sorbents, storage materials for waste and energy.

To facilitate the discovery of new zeolites, we have predicted a large number of hypothetical structures via various computational methods. We are gathering all the structures we have predicted in this collection. Synthetic chemists may look for their synthetic candidates. On the other hand, this collection may also help the structure determination of new zeolites by providing a large number of possible structure solutions.


Li, Yi; Yu, Jihong (2019): Hypothetical Zeolite Structures. figshare. Collection. https://doi.org/10.6084/m9.figshare.c.4424417.v3
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